4-(4-fluoro-2-methylphenoxy)quinolin-7-amine

C16H13FN2O — CID 103002405

IUPAC4-(4-fluoro-2-methylphenoxy)quinolin-7-amine
SMILESCc1cc(F)ccc1Oc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H13FN2O/c1-10-8-11(17)2-5-15(10)20-16-6-7-19-14-9-12(18)3-4-13(14)16/h2-9H,18H2,1H3
InChIKeyXSNKEURGVKBRRV-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.06
Rot. Bonds2

About 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine

4-(4-fluoro-2-methylphenoxy)quinolin-7-amine (PubChem CID 103002405) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenoxy)quinolin-7-amine
PubChem CID103002405
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-(4-fluoro-2-methylphenoxy)quinolin-7-amine
SMILESCc1cc(F)ccc1Oc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H13FN2O/c1-10-8-11(17)2-5-15(10)20-16-6-7-19-14-9-12(18)3-4-13(14)16/h2-9H,18H2,1H3
InChIKeyXSNKEURGVKBRRV-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-difluorophenoxy)quinolin-7-amine
CID 103002316
2-(4-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 116797992
2-(7-aminoquinolin-4-yl)oxybenzamide
CID 103002186
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
ethane;7-fluoro-4-methylquinoline
CID 142037193
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
2-(7-aminoquinolin-4-yl)oxyethanol
CID 103002211
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
3-chloro-4-quinolin-4-yloxyaniline
CID 61341550

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine?
The IUPAC name of 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine (CID 103002405) is 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine?
The canonical SMILES for 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine is Cc1cc(F)ccc1Oc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine?
The InChIKey is XSNKEURGVKBRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-8-11(17)2-5-15(10)20-16-6-7-19-14-9-12(18)3-4-13(14)16/h2-9H,18H2,1H3.
What are the key properties of 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine?
4-(4-fluoro-2-methylphenoxy)quinolin-7-amine has a molecular weight of 268.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenoxy)quinolin-7-amine is sourced from PubChem (CID 103002405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).